7RW3

E. coli cysteine desulfurase SufS N99D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-12
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	124.760, 124.760, 137.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.450 - 2.300
R-factor	0.2071
Rwork	0.206
R-free	0.22510
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	pdbid 6mr2
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.450	39.450	2.360
High resolution limit [Å]	2.300	10.280	2.300
Rmerge	0.082	0.021	0.891
Rmeas	0.086	0.023	1.032
Total number of observations	477586
Number of reflections	48187	618	3206
<I/σ(I)>	22.99	70.5	1.32
Completeness [%]	98.8	96.1	90.2
Redundancy	9.911	7.052	3.751
CC(1/2)	0.999	0.999	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	4-4.5M NaCl, 100 mM MES